SCHEMBL1584055

SCHEMBL1584055

[CH2]c1ccc(C(F)(F)F)nc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
CXCR4 P61073 1/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
PRMT6 Q96LA8 1/20 0.33
PTGS2 P35354 1/20 0.32
IDH1 O75874 1/20 0.32
IDH2 P48735 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PDE4B Q07343 1/20 0.31
MAT2A P31153 1/20 0.31
TGFBR1 P36897 1/20 0.31
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1584056 0.77 NOS3 (0.44) KDM4ECXCR4LMNAGAANPC1
SCHEMBL21139679 0.76 KDM4E (0.42) KDM4ECXCR4LMNAGAANPC1
SCHEMBL21612748 0.76 TRPV4 (0.45) KDM4ECXCR4LMNAGAANPC1
SCHEMBL31018185 0.76 TRPV4 (0.45) KDM4ECXCR4LMNAGAANPC1
Ammonia Solution, Strong SCHEMBL27852366 0.76 NOS3 (0.43) KDM4ECXCR4LMNAGAANPC1
SCHEMBL15832406 0.76 LMNA (0.46) KDM4ECXCR4LMNAGAANPC1
SCHEMBL404271 0.74 KDM4E (0.41) KDM4ECXCR4LMNAGAAPDE2A
SCHEMBL22851293 0.74 LMNA (0.42) KDM4ECXCR4LMNAGAANPC1
SCHEMBL29626748 0.74 HSP90AA1 (0.44) KDM4ECXCR4LMNAGAANPC1
SCHEMBL180808 0.74 HSP90AA1 (0.44) KDM4ECXCR4LMNAGAANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486005-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP claimed
US-8288404-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 US claimed
EP-2486005-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2012-08-15 EP claimed
WO-2011044073-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO claimed
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-07 US claimed
CN-104254525-B aromatic ring compound TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2016-05-25 CN disclosed
EP-2486005-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
US-8288404-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 US disclosed
EP-2486005-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
WO-2011044073-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-07 US disclosed
WO-2007023281-A2 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2007-03-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 KDM4E 2255/4885CXCR4 583/4885LMNA 4812/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.